Cas no 85851-92-9 (1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI))
85851-92-9 structure
Product Name:1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI)
CAS No:85851-92-9
MF:C25H40O4
MW:404.582708358765
CID:729996
PubChem ID:56842588
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI)
- 2-ethylhexyl isononyl phthalate
- 2-O-(2-ethylhexyl) 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate
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- Inchi： 1S/C25H40O4/c1-5-7-15-21(6-2)19-29-25(27)23-17-12-11-16-22(23)24(26)28-18-13-9-8-10-14-20(3)4/h11-12,16-17,20-21H,5-10,13-15,18-19H2,1-4H3
- InChI Key： SUPDBLGQIUQVLH-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=CC=1C(=O)OCCCCCCC(C)C)=O)CC(CC)CCCC
Computed Properties
- Exact Mass: 404.29265975g/mol
- Monoisotopic Mass: 404.29265975g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 17
- Complexity: 446
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 52.6?2
1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
85851-92-9 (1,2-Benzenedicarboxylicacid, 2-ethylhexyl isononyl ester (9CI)) Related Products
- 28553-12-0(Diisononyl phthalate)
- 84-74-2(Dibutyl phthalate)
- 84-75-3(Di-n-hexyl Phthalate)
- 84-77-5(Didecyl Phthalate (~90%))
- 131-18-0(1,2-dipentyl benzene-1,2-dicarboxylate)
- 26761-40-0(Diisodecyl Phthalate (mixture of branched chain isomers))
- 6422-86-2(Dioctyl Terepthalate)
- 27554-26-3(Diisooctyl phthalate)
- 117-81-7(Bis(2-ethylhexyl) phthalate)
- 85-68-7(Benzyl butyl phthalate)
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